1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea

C11H16N2O2S — CID 110890355

IUPAC1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCCCO)c1
InChIInChI=1S/C11H16N2O2S/c1-16-10-5-2-4-9(8-10)13-11(15)12-6-3-7-14/h2,4-5,8,14H,3,6-7H2,1H3,(H2,12,13,15)
InChIKeyRPQMMLSEZFDOIF-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.91
Rot. Bonds5

About 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea

1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea (PubChem CID 110890355) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
PubChem CID110890355
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
SMILESCSc1cccc(NC(=O)NCCCO)c1
InChIInChI=1S/C11H16N2O2S/c1-16-10-5-2-4-9(8-10)13-11(15)12-6-3-7-14/h2,4-5,8,14H,3,6-7H2,1H3,(H2,12,13,15)
InChIKeyRPQMMLSEZFDOIF-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
2-methyl-5-[(3-methylsulfanylphenyl)carbamoylamino]pentanoic acid
CID 104686088
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764
N-(2-hydroxyethyl)-N'-(3-methylsulfanylphenyl)oxamide
CID 44997522
1-(2,2-diphenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 3807651
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
1-[[2-(hydroxymethyl)phenyl]methyl]-3-(3-methylsulfanylphenyl)urea
CID 51094094
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
CID 43145996
1-(3-ethoxyphenyl)-3-(3-hydroxypropyl)urea
CID 110896937
2,2-dimethyl-3-[(3-methylsulfanylphenyl)carbamoylamino]propanoic acid
CID 113308072
1-[2-(2-methoxyphenyl)ethyl]-3-(3-methylsulfanylphenyl)urea
CID 17087569
1-(3-acetylphenyl)-3-(5-hydroxypentyl)urea
CID 107302725

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea?
The IUPAC name of 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea (CID 110890355) is 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea.
What is the SMILES notation for 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea?
The canonical SMILES for 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea is CSc1cccc(NC(=O)NCCCO)c1.
What is the InChIKey of 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea?
The InChIKey is RPQMMLSEZFDOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16-10-5-2-4-9(8-10)13-11(15)12-6-3-7-14/h2,4-5,8,14H,3,6-7H2,1H3,(H2,12,13,15).
What are the key properties of 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea?
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea has a molecular weight of 240.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea is sourced from PubChem (CID 110890355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).